sodium 4-(2-ethyl-7-methoxy-3-methyl-1-benzofuran-4-yl)-4-oxidanylidene-butanoate

Systemtic Name: sodium 4-(2-ethyl-7-methoxy-3-methyl-1-benzofuran-4-yl)-4-oxidanylidene-butanoate Openeye Name: sodium 4-(2-ethyl-7-methoxy-3-methyl-benzofuran-4-yl)-4-oxo-butanoate CAS Name: sodium 4-(2-ethyl-7-methoxy-3-methyl-4-benzofuranyl)-4-oxobutanoate IUPAC Name: sodium 4-(2-ethyl-7-methoxy-3-methyl-1-benzofuran-4-yl)-4-oxobutanoate Traditional Name: sodium 4-(2-ethyl-7-methoxy-3-methyl-benzofuran-4-yl)-4-keto-butyrate Formula: C16H17NaO5 MolecularWeight: 312.29295

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C2=C(C=CC(=C2O1)OC)C(=O)CCC(=O)[O-])C.[Na+]

Isomeric SMILES

CCC1=C(C2=C(C=CC(=C2O1)OC)C(=O)CCC(=O)[O-])C.[Na+]

InChI

InChI=1S/C16H18O5.Na/c1-4-12-9(2)15-10(11(17)6-8-14(18)19)5-7-13(20-3)16(15)21-12;/h5,7H,4,6,8H2,1-3H3,(H,18,19);/q;+1/p-1